SCHEMBL440768

SCHEMBL440768

O=C(C=C1COC1)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.54
LMNA P02545 3/20 0.51
AKR1B10 O60218 2/20 0.48
AKR1B1 P15121 2/20 0.48
CA12 O43570 1/20 0.48
CA4 P22748 1/20 0.48
CA6 P23280 1/20 0.48
CA5A P35218 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
CA5B Q9Y2D0 1/20 0.48
ALDH1A1 P00352 5/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TDP1 Q9NUW8 2/20 0.46
MAPK1 P28482 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SLC6A2 P23975 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19284778 0.85 HCAR2 (0.59) HCAR2LMNAAKR1B10AKR1B1CA12
SCHEMBL1531595 0.84 CA12 (0.48) HCAR2LMNACA12CA9ALDH1A1
SCHEMBL13529290 0.78 HCAR2 (0.51) HCAR2LMNAAKR1B10AKR1B1CA12
SCHEMBL9106935 0.78 HCAR2 (0.51) HCAR2LMNAAKR1B10AKR1B1CA12
SCHEMBL15751210 0.76 HCAR2 (0.46) HCAR2LMNAAKR1B10AKR1B1CA12
SCHEMBL9515999 0.75 HCAR2 (0.65) HCAR2LMNAAKR1B10AKR1B1CA12
SCHEMBL9395526 0.75 HCAR2 (0.69) HCAR2LMNAAKR1B10AKR1B1CA12
SCHEMBL337504 0.75 HCAR2 (0.89) HCAR2LMNAAKR1B10AKR1B1CA12
SCHEMBL357565 0.75 HCAR2 (0.89) HCAR2LMNAAKR1B10AKR1B1CA12
SCHEMBL337503 0.75 HCAR2 (0.89) HCAR2LMNAAKR1B10AKR1B1CA12

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9212175-B2 Pharmaceutical hypocholesterolemic compositions LIPIDEON BIOTECHNOLOGY AG (CH) 2015-12-15 US disclosed
US-9212175-B2 Pharmaceutical hypocholesterolemic compositions LIPIDEON BIOTECHNOLOGY AG (CH) 2015-12-15 US disclosed
US-9018414-B2 Substituted 3-phenylpropionic acids and the use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-04-28 US disclosed
US-9018414-B2 Substituted 3-phenylpropionic acids and the use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-04-28 US disclosed
US-9018414-B2 Substituted 3-phenylpropionic acids and the use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-04-28 US disclosed
CN-102712577-B Substituted 3-phenylpropionic acids and the use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-10-15 CN disclosed
US-20140142069-A1 SUBSTITUTED 3-PHENYLPROPIONIC ACIDS AND THE USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-05-22 US disclosed
US-20140142069-A1 SUBSTITUTED 3-PHENYLPROPIONIC ACIDS AND THE USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-05-22 US disclosed
US-20140142069-A1 SUBSTITUTED 3-PHENYLPROPIONIC ACIDS AND THE USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-05-22 US disclosed
CN-102712577-A Substituted 3-phenylpropionic acids and the use thereof BAYER SCHERING PHARMA AG 2012-10-03 CN disclosed
US-20120065168-A1 Pharmaceutical Hypocholesterolemic Compositions LIPIDEON BIOTECHNOLOGY AG (CH) 2012-03-15 US disclosed
US-20120065168-A1 Pharmaceutical Hypocholesterolemic Compositions LIPIDEON BIOTECHNOLOGY AG (CH) 2012-03-15 US disclosed
EP-2403848-A1 PHARMACEUTICAL HYPOCHOLESTEROLEMIC COMPOSITIONS Lipideon Biotechnology AG (CH) 2012-01-11 EP disclosed
US-20110130445-A1 SUBSTITUTED 3-PHENYLPROPIONIC ACIDS AND THE USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-06-02 US disclosed
US-20110130445-A1 SUBSTITUTED 3-PHENYLPROPIONIC ACIDS AND THE USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-06-02 US disclosed
US-20110130445-A1 SUBSTITUTED 3-PHENYLPROPIONIC ACIDS AND THE USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-06-02 US disclosed
WO-2011051165-A1 SUBSTITUTED 3-PHENYLPROPIONIC ACIDS AND THE USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-05-05 WO disclosed
WO-2010100255-A1 PHARMACEUTICAL HYPOCHOLESTEROLEMIC COMPOSITIONS LIPIDEON BIOTECHNOLOGY AG (CH) 2010-09-10 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140142069-A1 SUBSTITUTED 3-PHENYLPROPIONIC ACIDS AND THE USE THEREOF FABP3, PC, PAH HCAR2 71/4885LMNA 340/4885AKR1B10 1688/4885
US-20110130445-A1 SUBSTITUTED 3-PHENYLPROPIONIC ACIDS AND THE USE THEREOF FABP3, PC, PAH HCAR2 71/4885LMNA 340/4885AKR1B10 1688/4885
US-20120065168-A1 Pharmaceutical Hypocholesterolemic Compositions CYP46A1, DHCR7, HMGCR HCAR2 315/4885LMNA 1927/4885AKR1B10 177/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.